Dataset

A alpha C; APCI-ITFT; MS2; CE: 35%; R=30000; [M-H]-

This MassBank record with Accession MSBNK-UFZ-UA000804 contains the MS2 mass spectrum of A alpha C with the InChIkey FJTNLJLPLJDTRM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-6H,(H3,12,13,14)
SMILES c1ccc2c(c1)c1c([nH]2)nc(cc1)N
InChI Key FJTNLJLPLJDTRM-UHFFFAOYSA-N
Molecular Formula C11H9N3
Exact Mass 183.080 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UA000804
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MetadataPublished 2014-06-24
Related Molecule
  • 9H-pyrido[2,3-b]indol-2-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82284 chebi
    CHEMBL4567642 chembl
    1336333 surechembl
    1336334 surechembl
    29623886 surechembl
    62805 pubchem
    P0GZ1ICS6X fdasrs
    PD213490 probes_and_drugs
    117437 brenda
    183749 brenda
    255195 brenda
    HMDB0033141 hmdb
    51261792 bindingdb
    51261800 bindingdb
    51261815 bindingdb
    Molport-001-761-288 molport
    Molport-046-762-229 molport
    The data in this table is sourced from UniChem at EBI.